Home Nitriles 3-Cyclopentyl-3-oxopropanenitrile

3-Cyclopentyl-3-oxopropanenitrile

CAS No.:
95882-33-0
Catalog Number:
AG006APS
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
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Product Description
Catalog Number:
AG006APS
Chemical Name:
3-Cyclopentyl-3-oxopropanenitrile
CAS Number:
95882-33-0
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD04114391
IUPAC Name:
3-cyclopentyl-3-oxopropanenitrile
InChI:
InChI=1S/C8H11NO/c9-6-5-8(10)7-3-1-2-4-7/h7H,1-5H2
InChI Key:
FOCJXECLIBAZSA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CCCC1
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties